N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

C23H29FN2O — CID 86280430

IUPACN-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O/c1-2-6-23(27)26(21-11-9-20(24)10-12-21)22-14-17-25(18-15-22)16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3
InChIKeyQZFMCYUBPSLOBP-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.67
Rot. Bonds7

About N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (PubChem CID 86280430) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
PubChem CID86280430
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC NameN-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H29FN2O/c1-2-6-23(27)26(21-11-9-20(24)10-12-21)22-14-17-25(18-15-22)16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3
InChIKeyQZFMCYUBPSLOBP-UHFFFAOYSA-N
XLogP4.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide (CID 86280430) is N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is CCCC(=O)N(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
The InChIKey is QZFMCYUBPSLOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-2-6-23(27)26(21-11-9-20(24)10-12-21)22-14-17-25(18-15-22)16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,2,6,13-18H2,1H3.
What are the key properties of N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide?
N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide has a molecular weight of 368.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 86280430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).